2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide

C18H21FN4O3 — CID 118792938

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]c1=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H21FN4O3/c19-15-6-2-1-4-12(15)10-23-7-3-5-14(11-23)20-16(24)8-13-9-17(25)21-22-18(13)26/h1-2,4,6,9,14H,3,5,7-8,10-11H2,(H,20,24)(H,21,25)(H,22,26)
InChIKeyBUPULFMERRFYRB-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.53
Rot. Bonds5

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 118792938) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
PubChem CID118792938
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1cc(=O)[nH][nH]c1=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H21FN4O3/c19-15-6-2-1-4-12(15)10-23-7-3-5-14(11-23)20-16(24)8-13-9-17(25)21-22-18(13)26/h1-2,4,6,9,14H,3,5,7-8,10-11H2,(H,20,24)(H,21,25)(H,22,26)
InChIKeyBUPULFMERRFYRB-UHFFFAOYSA-N
XLogP0.53
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 95709652
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CID 23723582
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 26331061
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 25373999
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131933679
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide (CID 118792938) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide is O=C(Cc1cc(=O)[nH][nH]c1=O)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is BUPULFMERRFYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-15-6-2-1-4-12(15)10-23-7-3-5-14(11-23)20-16(24)8-13-9-17(25)21-22-18(13)26/h1-2,4,6,9,14H,3,5,7-8,10-11H2,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 118792938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).